2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C23H14BrClN2O2S — CID 23766527

IUPAC2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)sc2nc3ccccc3n12
InChIInChI=1S/C23H14BrClN2O2S/c24-16-11-14(9-10-20(16)29-13-15-5-1-2-6-17(15)25)12-21-22(28)27-19-8-4-3-7-18(19)26-23(27)30-21/h1-12H,13H2
InChIKeyBUZQYWONUITUPR-UHFFFAOYSA-N
MW497.80 g/mol
LogP5.45
Rot. Bonds4

About 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 23766527) has the molecular formula C23H14BrClN2O2S and a molecular weight of 497.80 g/mol. Its IUPAC name is 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID23766527
Molecular FormulaC23H14BrClN2O2S
Molecular Weight497.80 g/mol
Exact Mass495.96
IUPAC Name2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)sc2nc3ccccc3n12
InChIInChI=1S/C23H14BrClN2O2S/c24-16-11-14(9-10-20(16)29-13-15-5-1-2-6-17(15)25)12-21-22(28)27-19-8-4-3-7-18(19)26-23(27)30-21/h1-12H,13H2
InChIKeyBUZQYWONUITUPR-UHFFFAOYSA-N
XLogP5.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.80
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124582632
2-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23988400
(2Z)-2-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124585989
(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1245045
2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2872335
(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 847974
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2869203
2-[(3-bromo-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1250170
2-[[2-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzonitrile
CID 1281273
2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 23959430
[2-bromo-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] naphthalene-1-carboxylate
CID 124525498
(2Z)-2-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2205771

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 23766527) is 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1c(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)sc2nc3ccccc3n12.
What is the InChIKey of 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is BUZQYWONUITUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrClN2O2S/c24-16-11-14(9-10-20(16)29-13-15-5-1-2-6-17(15)25)12-21-22(28)27-19-8-4-3-7-18(19)26-23(27)30-21/h1-12H,13H2.
What are the key properties of 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 497.80 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 23766527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).